ChemSpider 2D Image | 2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[2-(methylamino)benzoyl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one | C18H23N6O15P3

2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[2-(methylamino)benzoyl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC18H23N6O15P3
  • Average mass656.328 Da
  • Monoisotopic mass656.043396 Da
  • ChemSpider ID95637812

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[2-(methylamino)benzoyl]pentofuranosyl}-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[2-(methylamino)benzoyl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-{5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-O-[2-(méthylamino)benzoyl]pentofuranosyl}-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-3-O-[2-(methylamino)benzoyl]pentofuranosyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point: 1046.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.3±3.0 kJ/mol
Flash Point: 586.5±37.1 °C
Index of Refraction: 1.810
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 21
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -8.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 342 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 130.3±7.0 dyne/cm
Molar Volume: 299.6±7.0 cm3

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